Chemical Properties of Dodecanoic acid, 2-phenylethyl ester (CAS 6309-54-2)

InChI

InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-13-16-20(21)22-18-17-19-14-11-10-12-15-19/h10-12,14-15H,2-9,13,16-18H2,1H3

InChI Key

WAKJZNSYKIRWFX-UHFFFAOYSA-N

Formula

C20H32O2

SMILES

CCCCCCCCCCCC(=O)OCCc1ccccc1

Molecular Weight¹

304.47

CAS

6309-54-2

Other Names

• 2-Phenylethyl laurate
• 2-Phenylethyl dodecanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9047		Relay (1.0) Calculated Property
ΔfG°	-80.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-525.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.97	kJ/mol	Joback Calculated Property
ΔvapH°	100.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-6.01		Relay (1.0) Calculated Property
logPoct/wat	5.693		Crippen Calculated Property
McVol	276.340	ml/mol	McGowan Calculated Property
Pc	1273.69	kPa	Joback Calculated Property
Inp	[2264.20; 2264.20]
Inp	2264.20		NIST
Inp	2264.20		NIST
Tboil	622.75	K	Relay (1.0) Calculated Property
Tc	821.91	K	Relay (1.0) Calculated Property
Tfus	278.15	K	Relay (1.0) Calculated Property
Vc	1.051	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[388.84; 940.73]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.37880e+01
Coefficient B			1.77012e+00
Coefficient C			-1.00080e-03
Coefficient D			1.95200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	388.84	J/mol×K	273.00	Calculated Property
Cp,gas	485.83	J/mol×K	353.78	Calculated Property
Cp,gas	572.46	J/mol×K	434.56	Calculated Property
Cp,gas	649.35	J/mol×K	515.33	Calculated Property
Cp,gas	717.12	J/mol×K	596.11	Calculated Property
Cp,gas	776.38	J/mol×K	676.89	Calculated Property
Cp,gas	827.76	J/mol×K	757.67	Calculated Property
Cp,gas	871.86	J/mol×K	838.44	Calculated Property
Cp,gas	909.31	J/mol×K	919.22	Calculated Property
Cp,gas	940.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017673; 0.0001077]	Pa×s	[383.91; 651.20]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.31544e+01
Coefficient B			2.61678e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			383.91
Temperature range, max.			651.20
η	0.0017673	Pa×s	383.91	Calculated Property
η	0.0010833	Pa×s	413.61	Calculated Property
η	0.0007091	Pa×s	443.31	Calculated Property
η	0.0004895	Pa×s	473.01	Calculated Property
η	0.0003530	Pa×s	502.71	Calculated Property
η	0.0002640	Pa×s	532.41	Calculated Property
η	0.0002037	Pa×s	562.11	Calculated Property
η	0.0001612	Pa×s	591.81	Calculated Property
η	0.0001305	Pa×s	621.50	Calculated Property
η	0.0001077	Pa×s	651.20	Calculated Property

Similar Compounds

Find more compounds similar to Dodecanoic acid, 2-phenylethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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